2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione

C15H24N2O2S — CID 106478003

IUPAC2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(C(C)C)c(C)[nH]2)CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-5-19-15(6-8-18-9-7-15)14-16-11(4)12(10(2)3)13(20)17-14/h10H,5-9H2,1-4H3,(H,16,17,20)
InChIKeySSFNITZMMHBPRX-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.61
Rot. Bonds4

About 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione

2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106478003) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106478003
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(C(C)C)c(C)[nH]2)CCOCC1
InChIInChI=1S/C15H24N2O2S/c1-5-19-15(6-8-18-9-7-15)14-16-11(4)12(10(2)3)13(20)17-14/h10H,5-9H2,1-4H3,(H,16,17,20)
InChIKeySSFNITZMMHBPRX-UHFFFAOYSA-N
XLogP3.61
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione (CID 106478003) is 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)c(C(C)C)c(C)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is SSFNITZMMHBPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-5-19-15(6-8-18-9-7-15)14-16-11(4)12(10(2)3)13(20)17-14/h10H,5-9H2,1-4H3,(H,16,17,20).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione?
2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 296.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-6-methyl-5-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).